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. 2021 Jan 15;6(4):3130–3139. doi: 10.1021/acsomega.0c05519

Table 1. Matrix with Dissociation Energy Values for the Systems in Studya.

dissociation energies, kcal/mol
potentially reactive systems
potentially inert systems
  Ca(OH)2 CaCO3 Ca2+ Si2O7H6
  aq naq aq naq aq naq aq naq
ox 49.42 18.30 15.84 16.14 12.93 247.87 4.76 38.81
ac 31.48 38.39 –2.09 36.23 5.95 237.39 2.54 21.48
bz 34.94 40.70 1.36 38.54 4.48 229.86 2.40 20.78
hex 30.74 36.98 –2.84 34.82 5.19 238.62 2.39 19.34
doc 28.81 34.33 –4.76 32.17 3.63 240.11 1.08 21.32
pydn –9.80 4.15 –11.58 6.19 –6.62 11.30 –5.00 –0.59
thio –9.51 –4.82 –11.32 –2.17 –6.19 19.56 –8.43 –4.88
pyol –9.75 0.71 –9.37 1.99 –5.78 29.19 –4.74 –5.23
a

ox = oxalate, ac = acetate, bz = benzoate, hex = hexanoate, doc = dodecanoate, pydn = pyridine, thio = thiophene, pyol = pyrrole. Solvents: aq = water, naq = n-dodecane.